(7R)-5-bromo-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine

C15H16BrN — CID 79594927

IUPAC(7R)-5-bromo-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine
SMILESN[C@@H]1CCCCc2c1cc(Br)c1ccccc21
InChIInChI=1S/C15H16BrN/c16-14-9-13-11(6-3-4-8-15(13)17)10-5-1-2-7-12(10)14/h1-2,5,7,9,15H,3-4,6,8,17H2/t15-/m1/s1
InChIKeyNNYSVMCTFPLYIH-OAHLLOKOSA-N
MW290.20 g/mol
LogP4.33
Rot. Bonds

About (7R)-5-bromo-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine

(7R)-5-bromo-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine (PubChem CID 79594927) has the molecular formula C15H16BrN and a molecular weight of 290.20 g/mol. Its IUPAC name is (7R)-5-bromo-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine.

Molecular Properties

Compound Name(7R)-5-bromo-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine
PubChem CID79594927
Molecular FormulaC15H16BrN
Molecular Weight290.20 g/mol
Exact Mass289.05
IUPAC Name(7R)-5-bromo-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine
SMILESN[C@@H]1CCCCc2c1cc(Br)c1ccccc21
InChIInChI=1S/C15H16BrN/c16-14-9-13-11(6-3-4-8-15(13)17)10-5-1-2-7-12(10)14/h1-2,5,7,9,15H,3-4,6,8,17H2/t15-/m1/s1
InChIKeyNNYSVMCTFPLYIH-OAHLLOKOSA-N
XLogP4.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7R)-5-bromo-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine?
The IUPAC name of (7R)-5-bromo-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine (CID 79594927) is (7R)-5-bromo-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine.
What is the SMILES notation for (7R)-5-bromo-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine?
The canonical SMILES for (7R)-5-bromo-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine is N[C@@H]1CCCCc2c1cc(Br)c1ccccc21.
What is the InChIKey of (7R)-5-bromo-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine?
The InChIKey is NNYSVMCTFPLYIH-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H16BrN/c16-14-9-13-11(6-3-4-8-15(13)17)10-5-1-2-7-12(10)14/h1-2,5,7,9,15H,3-4,6,8,17H2/t15-/m1/s1.
What are the key properties of (7R)-5-bromo-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine?
(7R)-5-bromo-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine has a molecular weight of 290.20 g/mol, XLogP of 4.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5-bromo-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine is sourced from PubChem (CID 79594927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).